#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gb1 s THR 2 N 0.00 5.11 0.09 2.03 2.01 -1.26 -2.49 115.64 121.13 3gb1 s THR 2 Ca 0.00 0.91 0.09 0.00 0.31 0.00 0.00 61.69 63.00 3gb1 s THR 2 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3gb1 s THR 2 CO 0.00 0.43 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.83 3gb1 s TYR 3 N -0.05 2.44 0.03 4.92 1.51 -1.04 -4.90 117.35 120.25 3gb1 s TYR 3 Ca 0.25 -0.32 0.08 0.00 -1.01 0.00 0.00 57.07 56.06 3gb1 s TYR 3 Cb -0.16 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.30 3gb1 s TYR 3 CO 0.11 0.29 -0.23 0.21 -1.11 0.00 0.00 175.55 174.82 3gb1 s LYS 4 N -1.75 1.99 -0.10 -0.62 2.20 -1.05 -2.50 119.74 117.91 3gb1 s LYS 4 Ca 0.15 -1.01 0.03 0.00 -0.36 0.00 0.00 55.97 54.78 3gb1 s LYS 4 Cb -0.10 -2.09 -0.00 0.00 -1.51 0.00 0.00 37.83 34.12 3gb1 s LYS 4 CO 0.06 0.54 -0.23 -1.17 -0.36 0.00 0.00 175.35 174.19 3gb1 s LEU 5 N -1.17 2.17 -0.23 5.43 2.96 -0.26 -0.46 118.68 127.12 3gb1 s LEU 5 Ca 0.12 -0.53 -0.07 0.00 -0.22 0.00 0.00 54.13 53.43 3gb1 s LEU 5 Cb -0.10 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 3gb1 s LEU 5 CO 0.03 0.16 0.07 -0.63 -1.32 0.00 0.00 176.35 174.65 3gb1 s ILE 6 N 0.34 4.41 -0.30 6.68 1.01 -0.81 -1.81 121.20 130.71 3gb1 s ILE 6 Ca -0.18 -0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.22 3gb1 s ILE 6 Cb -0.18 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 3gb1 s ILE 6 CO 0.09 0.37 0.16 -0.76 0.00 0.00 0.00 174.94 174.80 3gb1 s LEU 7 N 1.30 4.09 -0.70 2.97 1.43 0.12 -2.84 118.68 125.04 3gb1 s LEU 7 Ca 0.05 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 3gb1 s LEU 7 Cb -0.15 -2.03 0.26 0.00 0.03 0.00 0.00 46.19 44.31 3gb1 s LEU 7 CO 0.03 -0.16 0.88 0.59 0.23 0.00 0.00 176.35 177.92 3gb1 n ASN 8 N 5.01 4.23 -4.91 2.29 3.02 -1.11 -1.74 115.26 122.05 3gb1 n ASN 8 Ca -0.14 -3.46 -0.28 0.00 -0.03 0.00 0.00 54.58 50.67 3gb1 n ASN 8 Cb 0.50 -0.75 0.07 0.00 -0.61 0.00 0.00 39.78 38.98 3gb1 n ASN 8 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3gb1 s GLY 9 N -2.44 1.63 0.19 7.41 0.00 0.16 -2.83 107.32 111.45 3gb1 s GLY 9 Ca 0.39 -0.71 -0.07 0.00 0.00 0.00 0.00 44.72 44.32 3gb1 s GLY 9 CO -0.00 -0.30 1.60 0.50 0.00 0.00 0.00 173.10 174.90 3gb1 h LYS 10 N -0.73 0.92 0.00 2.90 1.57 -1.97 -3.35 116.57 115.91 3gb1 h LYS 10 Ca -0.45 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 57.96 3gb1 h LYS 10 Cb 1.31 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 3gb1 h LYS 10 CO 0.63 1.02 -1.15 0.25 -0.57 0.00 0.00 179.45 179.64 3gb1 n THR 11 N -4.12 0.02 -3.77 -0.16 -2.24 -1.26 -4.97 114.28 97.78 3gb1 n THR 11 Ca 0.01 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.35 3gb1 n THR 11 Cb 0.43 0.30 -0.13 0.00 -2.10 0.00 0.00 70.33 68.83 3gb1 n THR 11 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3gb1 s LEU 12 N -3.31 3.38 -0.03 3.22 2.96 -1.26 -5.08 118.68 118.56 3gb1 s LEU 12 Ca -0.01 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 3gb1 s LEU 12 Cb 0.02 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.82 3gb1 s LEU 12 CO 0.13 -0.03 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.52 3gb1 s LYS 13 N 1.60 0.85 0.00 1.98 1.02 -1.26 0.40 119.74 124.34 3gb1 s LYS 13 Ca 0.06 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 55.85 3gb1 s LYS 13 Cb -0.15 -0.82 0.00 0.00 -0.52 0.00 0.00 37.83 36.34 3gb1 s LYS 13 CO 0.03 0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 3gb1 n GLY 14 N 3.58 -1.29 3.21 -3.33 0.00 -0.71 -5.00 105.19 101.64 3gb1 n GLY 14 Ca -0.21 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 3gb1 n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gb1 s GLU 15 N -0.59 0.76 0.24 1.61 4.04 -1.26 0.16 118.70 123.65 3gb1 s GLU 15 Ca 0.00 -0.66 -0.13 0.00 0.04 0.00 0.00 54.97 54.23 3gb1 s GLU 15 Cb 0.00 0.32 -0.00 0.00 0.02 0.00 0.00 34.13 34.47 3gb1 s GLU 15 CO 0.00 -0.23 0.47 -0.08 -1.84 0.00 0.00 175.26 173.58 3gb1 s THR 16 N -2.83 0.01 0.06 1.83 -1.32 -0.75 -4.99 115.64 107.65 3gb1 s THR 16 Ca -0.03 -1.36 -0.00 0.00 -1.21 0.00 0.00 61.69 59.09 3gb1 s THR 16 Cb 0.00 -2.13 -0.04 0.00 -1.51 0.00 0.00 72.50 68.82 3gb1 s THR 16 CO -0.05 -0.03 -0.04 0.42 -2.21 0.00 0.00 174.62 172.71 3gb1 s THR 17 N -4.00 0.34 0.15 5.08 -4.23 -1.26 -1.10 115.64 110.62 3gb1 s THR 17 Ca 0.21 -1.82 -0.19 0.00 -1.18 0.00 0.00 61.69 58.71 3gb1 s THR 17 Cb -0.00 -1.53 0.05 0.00 1.34 0.00 0.00 72.50 72.36 3gb1 s THR 17 CO 0.08 -0.95 0.50 0.28 -0.54 0.00 0.00 174.62 173.98 3gb1 s THR 18 N -3.77 0.04 -0.16 3.99 -1.32 -1.04 -5.02 115.64 108.36 3gb1 s THR 18 Ca 0.08 -0.40 -0.08 0.00 -1.21 0.00 0.00 61.69 60.08 3gb1 s THR 18 Cb 0.07 -1.18 -0.04 0.00 -1.51 0.00 0.00 72.50 69.84 3gb1 s THR 18 CO -0.08 -0.17 0.12 -1.61 -2.21 0.00 0.00 174.62 170.67 3gb1 s GLU 19 N -3.80 3.83 -0.10 7.08 2.02 -1.26 -2.51 118.70 123.96 3gb1 s GLU 19 Ca 0.03 -0.22 -0.09 0.00 0.02 0.00 0.00 54.97 54.72 3gb1 s GLU 19 Cb 0.00 -3.27 0.03 0.00 0.10 0.00 0.00 34.13 30.99 3gb1 s GLU 19 CO -0.11 0.49 0.26 0.00 0.02 0.00 0.00 175.26 175.92 3gb1 s ALA 20 N -0.20 -0.65 0.51 5.21 0.00 -1.04 -5.01 121.76 120.59 3gb1 s ALA 20 Ca 0.10 0.77 0.24 0.00 0.00 0.00 0.00 51.96 53.07 3gb1 s ALA 20 Cb -0.12 -0.45 1.50 0.00 0.00 0.00 0.00 23.12 24.05 3gb1 s ALA 20 CO 0.01 -0.13 2.15 -0.39 0.00 0.00 0.00 175.76 177.39 3gb1 h VAL 21 N 4.82 0.72 -3.23 0.00 -1.51 -1.98 0.22 116.25 115.28 3gb1 h VAL 21 Ca -0.27 -0.25 0.02 0.00 -1.23 0.00 0.00 66.70 64.97 3gb1 h VAL 21 Cb 1.19 1.15 -0.06 0.00 -2.13 0.00 0.00 31.29 31.44 3gb1 h VAL 21 CO 0.34 0.06 0.11 1.51 -1.23 0.00 0.00 177.57 178.37 3gb1 s ASP 22 N -6.45 -0.17 0.22 4.19 -4.77 -1.26 -4.03 116.67 104.40 3gb1 s ASP 22 Ca -0.04 -0.76 -0.04 0.00 -3.30 0.00 0.00 52.55 48.40 3gb1 s ASP 22 Cb 0.15 0.69 0.19 0.00 -1.09 0.00 0.00 42.92 42.86 3gb1 s ASP 22 CO 0.60 -1.30 1.65 0.00 0.70 0.00 0.00 175.17 176.82 3gb1 h ALA 23 N 2.08 0.90 -0.88 2.11 0.00 -1.96 -2.85 119.26 118.67 3gb1 h ALA 23 Ca -0.22 -0.35 0.16 0.00 0.00 0.00 0.00 54.91 54.49 3gb1 h ALA 23 Cb 1.25 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 3gb1 h ALA 23 CO 0.28 0.63 0.57 0.00 0.00 0.00 0.00 179.25 180.73 3gb1 h ALA 24 N 1.09 1.94 -0.07 0.00 0.00 -1.99 0.12 119.26 120.34 3gb1 h ALA 24 Ca 0.11 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 3gb1 h ALA 24 Cb 0.68 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3gb1 h ALA 24 CO 0.05 -0.19 -0.75 1.79 0.00 0.00 0.00 179.25 180.16 3gb1 h THR 25 N 0.60 1.39 -0.92 0.00 1.35 -1.92 -3.12 112.91 110.29 3gb1 h THR 25 Ca 0.45 -2.18 -0.01 0.00 -0.55 0.00 0.00 66.41 64.11 3gb1 h THR 25 Cb 0.83 2.15 -0.04 0.00 -1.73 0.00 0.00 68.15 69.36 3gb1 h THR 25 CO -0.20 0.65 0.52 0.00 -0.25 0.00 0.00 175.52 176.25 3gb1 h ALA 26 N 0.94 1.18 -0.63 6.62 0.00 -0.67 -1.55 119.26 125.14 3gb1 h ALA 26 Ca -0.03 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.82 3gb1 h ALA 26 Cb 1.32 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3gb1 h ALA 26 CO 0.13 0.66 0.33 0.93 0.00 0.00 0.00 179.25 181.29 3gb1 h GLU 27 N 1.28 0.58 -0.46 0.00 5.08 -1.21 0.26 114.58 120.11 3gb1 h GLU 27 Ca 0.33 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.55 3gb1 h GLU 27 Cb -0.01 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3gb1 h GLU 27 CO -0.06 0.38 -0.09 0.87 -1.00 0.00 0.00 179.01 179.12 3gb1 h LYS 28 N 0.60 0.88 0.05 2.33 1.57 -1.46 -0.24 116.57 120.30 3gb1 h LYS 28 Ca 0.29 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3gb1 h LYS 28 Cb 0.22 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3gb1 h LYS 28 CO -0.20 0.97 -0.03 0.28 -0.57 0.00 0.00 179.45 179.90 3gb1 h VAL 29 N 0.72 1.24 -0.53 0.50 2.07 -0.59 -2.32 116.25 117.34 3gb1 h VAL 29 Ca 0.12 -1.06 -0.12 0.00 0.82 0.00 0.00 66.70 66.46 3gb1 h VAL 29 Cb 0.63 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 3gb1 h VAL 29 CO 0.04 0.26 -0.14 -0.26 0.02 0.00 0.00 177.57 177.50 3gb1 h PHE 30 N -0.55 1.16 -0.68 1.57 0.04 -0.55 -0.35 116.94 117.58 3gb1 h PHE 30 Ca -0.01 -0.25 -0.02 0.00 2.80 0.00 0.00 57.97 60.49 3gb1 h PHE 30 Cb 0.49 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 3gb1 h PHE 30 CO 0.08 1.08 0.35 -0.22 -0.60 0.00 0.00 178.31 179.00 3gb1 h LYS 31 N 0.91 0.96 -0.35 1.51 3.64 -1.09 0.34 116.57 122.48 3gb1 h LYS 31 Ca 0.13 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.27 3gb1 h LYS 31 Cb 0.71 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3gb1 h LYS 31 CO 0.05 0.74 -0.26 1.96 -2.27 0.00 0.00 179.45 179.67 3gb1 h GLN 32 N 0.93 0.80 -0.16 1.90 4.20 -1.29 -0.94 115.11 120.55 3gb1 h GLN 32 Ca 0.24 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.56 3gb1 h GLN 32 Cb 0.08 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3gb1 h GLN 32 CO -0.03 1.02 0.11 -0.92 -0.67 0.00 0.00 178.83 178.33 3gb1 h TYR 33 N 0.58 0.20 -0.52 2.96 5.03 -0.60 0.37 116.97 124.99 3gb1 h TYR 33 Ca 0.07 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.38 3gb1 h TYR 33 Cb 0.83 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 39.01 3gb1 h TYR 33 CO 0.06 0.13 0.31 0.00 -1.32 0.00 0.00 178.16 177.34 3gb1 h ALA 34 N 1.06 0.66 -0.83 1.82 0.00 -0.26 -2.22 119.26 119.49 3gb1 h ALA 34 Ca 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gb1 h ALA 34 Cb -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3gb1 h ALA 34 CO -0.01 0.15 0.55 -0.97 0.00 0.00 0.00 179.25 178.96 3gb1 h ASN 35 N 0.69 0.95 0.14 0.00 -0.73 -0.74 -0.23 115.58 115.66 3gb1 h ASN 35 Ca 0.19 -0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.32 3gb1 h ASN 35 Cb -0.00 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 38.35 3gb1 h ASN 35 CO -0.03 0.69 -0.05 0.44 -0.37 0.00 0.00 177.43 178.11 3gb1 h ASP 36 N 1.12 0.00 -0.63 1.15 3.32 -0.36 -0.64 116.42 120.39 3gb1 h ASP 36 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3gb1 h ASP 36 Cb -0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3gb1 h ASP 36 CO -0.06 0.05 0.00 0.59 -1.72 0.00 0.00 179.24 178.09 3gb1 n ASN 37 N -3.77 3.36 -2.13 6.45 3.02 -0.24 -4.92 115.26 117.03 3gb1 n ASN 37 Ca -0.03 -2.00 -0.16 0.00 -0.03 0.00 0.00 54.58 52.36 3gb1 n ASN 37 Cb 0.14 -0.42 0.02 0.00 -0.61 0.00 0.00 39.78 38.91 3gb1 n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gb1 n GLY 38 N 1.50 -0.20 3.43 7.41 0.00 -0.25 -4.99 105.19 112.09 3gb1 n GLY 38 Ca 0.21 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3gb1 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gb1 s VAL 39 N -2.95 3.73 0.01 1.61 1.01 -0.39 -5.02 120.40 118.42 3gb1 s VAL 39 Ca 0.17 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 3gb1 s VAL 39 Cb -0.08 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 3gb1 s VAL 39 CO 0.21 0.46 0.06 1.51 0.00 0.00 0.00 175.10 177.34 3gb1 s ASP 40 N 0.79 0.12 0.00 3.32 -4.77 -1.26 -4.10 116.67 110.78 3gb1 s ASP 40 Ca -0.01 -0.35 0.00 0.00 -3.30 0.00 0.00 52.55 48.89 3gb1 s ASP 40 Cb -0.14 0.16 0.00 0.00 -1.09 0.00 0.00 42.92 41.84 3gb1 s ASP 40 CO 0.02 -0.34 0.00 0.61 0.70 0.00 0.00 175.17 176.15 3gb1 n GLY 41 N 1.49 -0.66 3.72 2.12 0.00 -1.26 -4.19 105.19 106.41 3gb1 n GLY 41 Ca -0.23 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 3gb1 n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gb1 s GLU 42 N -1.12 4.34 -0.14 1.61 0.41 -1.02 -4.89 118.70 117.89 3gb1 s GLU 42 Ca 0.00 0.51 -0.08 0.00 -0.41 0.00 0.00 54.97 55.00 3gb1 s GLU 42 Cb 0.00 -3.45 -0.04 0.00 -1.78 0.00 0.00 34.13 28.86 3gb1 s GLU 42 CO 0.00 0.11 0.13 -1.58 -0.49 0.00 0.00 175.26 173.43 3gb1 s TRP 43 N 0.76 3.53 0.05 1.61 0.52 -1.26 -2.73 118.94 121.41 3gb1 s TRP 43 Ca 0.28 0.45 0.03 0.00 0.02 0.00 0.00 56.10 56.88 3gb1 s TRP 43 Cb -0.16 -2.00 -0.02 0.00 -1.15 0.00 0.00 33.47 30.14 3gb1 s TRP 43 CO 0.11 0.60 -0.10 0.95 0.02 0.00 0.00 176.95 178.54 3gb1 s THR 44 N -0.62 0.70 -0.03 2.01 -4.23 -0.63 -5.01 115.64 107.83 3gb1 s THR 44 Ca 0.13 -1.10 0.02 0.00 -1.18 0.00 0.00 61.69 59.56 3gb1 s THR 44 Cb -0.12 -0.73 0.01 0.00 1.34 0.00 0.00 72.50 73.00 3gb1 s THR 44 CO 0.02 -0.31 -0.08 -0.47 -0.54 0.00 0.00 174.62 173.24 3gb1 s TYR 45 N -1.29 0.90 -0.32 3.99 5.04 -1.26 -1.52 117.35 122.89 3gb1 s TYR 45 Ca -0.07 -0.23 -0.03 0.00 -2.44 0.00 0.00 57.07 54.29 3gb1 s TYR 45 Cb -0.10 -0.67 0.05 0.00 0.35 0.00 0.00 41.96 41.59 3gb1 s TYR 45 CO 0.01 -0.12 0.04 0.34 -1.34 0.00 0.00 175.55 174.48 3gb1 s ASP 46 N 0.34 5.05 0.33 4.32 -1.08 -0.70 -4.97 116.67 119.96 3gb1 s ASP 46 Ca -0.05 -1.23 0.10 0.00 -0.52 0.00 0.00 52.55 50.84 3gb1 s ASP 46 Cb -0.10 -1.77 0.57 0.00 -1.46 0.00 0.00 42.92 40.16 3gb1 s ASP 46 CO 0.01 -0.29 1.75 -0.78 0.52 0.00 0.00 175.17 176.38 3gb1 h ASP 47 N 8.08 0.11 -0.70 -0.34 1.82 -1.96 0.54 116.42 123.96 3gb1 h ASP 47 Ca -0.22 -0.04 -0.07 0.00 -0.39 0.00 0.00 57.03 56.31 3gb1 h ASP 47 Cb 1.07 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 41.02 3gb1 h ASP 47 CO 0.56 0.51 0.16 0.00 -1.61 0.00 0.00 179.24 178.86 3gb1 h ALA 48 N 1.50 0.94 -0.06 -0.78 0.00 -1.97 -3.10 119.26 115.78 3gb1 h ALA 48 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gb1 h ALA 48 Cb 0.77 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3gb1 h ALA 48 CO 0.06 0.67 0.00 0.25 0.00 0.00 0.00 179.25 180.23 3gb1 n THR 49 N -4.22 0.08 -4.06 0.00 -2.24 -1.15 -4.96 114.28 97.72 3gb1 n THR 49 Ca 0.05 -0.54 -0.33 0.00 -2.27 0.00 0.00 64.05 60.96 3gb1 n THR 49 Cb 0.27 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 3gb1 n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gb1 n LYS 50 N 0.89 -4.42 -5.23 -0.78 5.02 0.19 -4.77 118.16 109.06 3gb1 n LYS 50 Ca 0.10 0.49 -0.32 0.00 -2.02 0.00 0.00 58.31 56.56 3gb1 n LYS 50 Cb 0.40 -5.31 -0.17 0.00 -0.02 0.00 0.00 35.03 29.93 3gb1 n LYS 50 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3gb1 s THR 51 N -3.29 2.06 -0.09 -0.18 2.01 -1.03 -2.53 115.64 112.59 3gb1 s THR 51 Ca 0.71 -1.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.61 3gb1 s THR 51 Cb -0.37 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 3gb1 s THR 51 CO 0.88 0.56 0.16 -0.36 -0.69 0.00 0.00 174.62 175.17 3gb1 s PHE 52 N 0.26 3.60 -0.05 4.92 0.08 0.39 -1.72 117.98 125.45 3gb1 s PHE 52 Ca -0.16 0.52 0.02 0.00 0.12 0.00 0.00 56.93 57.43 3gb1 s PHE 52 Cb -0.17 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 3gb1 s PHE 52 CO 0.08 0.72 -0.10 0.99 -0.10 0.00 0.00 175.22 176.81 3gb1 s THR 53 N -1.09 0.95 -0.08 0.64 2.01 -0.57 -1.93 115.64 115.57 3gb1 s THR 53 Ca 0.18 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 61.82 3gb1 s THR 53 Cb -0.12 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.51 3gb1 s THR 53 CO 0.07 0.31 -0.20 0.54 -0.69 0.00 0.00 174.62 174.65 3gb1 s VAL 54 N 0.59 1.70 -0.13 3.82 0.11 -1.13 -1.61 120.40 123.75 3gb1 s VAL 54 Ca -0.11 -0.81 0.03 0.00 -2.93 0.00 0.00 61.98 58.15 3gb1 s VAL 54 Cb -0.14 -1.49 0.01 0.00 -1.53 0.00 0.00 36.38 33.23 3gb1 s VAL 54 CO 0.02 0.48 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.16 3gb1 s THR 55 N 0.44 2.06 -2.32 5.04 2.01 -1.11 -2.75 115.64 119.01 3gb1 s THR 55 Ca -0.17 -0.99 0.29 0.00 0.31 0.00 0.00 61.69 61.14 3gb1 s THR 55 Cb -0.17 -1.81 0.68 0.00 0.01 0.00 0.00 72.50 71.21 3gb1 s THR 55 CO 0.07 0.55 1.92 1.21 -0.69 0.00 0.00 174.62 177.68